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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2, membrane associated' and Ligand = 'BDBM50055412'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055412
PNG
((R)-4-[[[4-[[[5[(sec-phenylamino)methyl]2,4-dihydr...)
Show SMILES CC(NCc1c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(O)c3C)c(O)c2C)c(O)c(C)c1O)c1ccccc1
Show InChI InChI=1S/C38H41NO10/c1-16-18(3)34(22(7)32(42)27(16)36(44)45)48-37(46)28-17(2)19(4)35(23(8)33(28)43)49-38(47)29-20(5)26(30(40)21(6)31(29)41)15-39-24(9)25-13-11-10-12-14-25/h10-14,24,39-43H,15H2,1-9H3,(H,44,45)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+6n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant secretory Phospholipase A2 (group II).


J Med Chem 39: 5183-91 (1997)


Article DOI: 10.1021/jm960437a
BindingDB Entry DOI: 10.7270/Q2K64JQH
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Rattus norvegicus)
BDBM50055412
PNG
((R)-4-[[[4-[[[5[(sec-phenylamino)methyl]2,4-dihydr...)
Show SMILES CC(NCc1c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(O)c3C)c(O)c2C)c(O)c(C)c1O)c1ccccc1
Show InChI InChI=1S/C38H41NO10/c1-16-18(3)34(22(7)32(42)27(16)36(44)45)48-37(46)28-17(2)19(4)35(23(8)33(28)43)49-38(47)29-20(5)26(30(40)21(6)31(29)41)15-39-24(9)25-13-11-10-12-14-25/h10-14,24,39-43H,15H2,1-9H3,(H,44,45)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+6n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


J Med Chem 39: 5183-91 (1997)


Article DOI: 10.1021/jm960437a
BindingDB Entry DOI: 10.7270/Q2K64JQH
More data for this
Ligand-Target Pair